Journal of Molecular Structure

Structural analysis of bis-amidines and bis-nitriles in solid-state by combining NMR spectroscopy and molecular modeling

J Żabiński, D Maciejewska, P Kaźmierczak

Index: Zabinski, Jerzy; Maciejewska, Dorota; Kazmierczak, Pawel Journal of Molecular Structure, 2009 , vol. 923, # 1-3 p. 132 - 140

Full Text: HTML

Citation Number: 4

Abstract

The paper presents the analysis of the structures of four novel sulfonamide-based bis- amidines, and four novel interesting intermediates leading to them, named bis-nitriles, in solid-state based on 13C CP/MAS NMR spectroscopy and theoretical calculations of shielding constants at DFT level of theory. We have observed double 13C resonances in solid-state spectra as compared with solution spectra. The considerations of experimental ...